화학공학소재연구정보센터
Thermochimica Acta, Vol.418, No.1-2, 109-116, 2004
Group contributions to enthalpies of solvation in octan-1-ol and di-n-butyl ether
The standard enthalpies of solvation of selected n-alkanes (hexane, heptane, nonane, decane, dodecane, hexadecane) and aromatic hydrocarbons (benzene, toluene, ethylbenzene) in 1-octanol and di-n-butyl ether (DBE) have been determined at 298.15 K from experimental heats of solution. The values obtained, together with the data collected from literature, form a dataset of 89 and 59 enthalpies of solvation in 1-octanol and di-n-butyl ether, respectively. The data have been employed for setting up a group contributions scheme to the enthalpies of solvation of organic compounds in the two solvents. Two different methods, the first based on a multiple regression analysis, the second consisting by a step procedure which takes the n-alkanes as reference compounds, have been used to calculate the values of the contributions. The different results obtained with these approaches have been compared and discussed. (C) 2004 Elsevier B.V. All rights reserved.